Geometry & MOs

Info

ID:	341863
PubChem CID:	127264556
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	315.123736
ΔH_f, kcal/mol:	-169.52
Dipole, Da:	3.45
IP(EA), eV:	-9.88(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-O-benzyl 4-O-tert-butyl (2S)-2-aminobutanedioate;hydrochloride

Drug info:

PubChemData

Smile

CCN([C@H](C(C)C)C(=O)O)C(=O)OCC1=CC=CC=C1

DOS

IR

Vibrations